2,3-dichloro-5-methylocta-1,3,5-triene

C9H12Cl2 — CID 123372962

IUPAC2,3-dichloro-5-methylocta-1,3,5-triene
SMILESC=C(Cl)C(Cl)=CC(C)=CCC
InChIInChI=1S/C9H12Cl2/c1-4-5-7(2)6-9(11)8(3)10/h5-6H,3-4H2,1-2H3
InChIKeySOAMPWLTIRJXBU-UHFFFAOYSA-N
MW191.10 g/mol
LogP4.22
Rot. Bonds3

About 2,3-dichloro-5-methylocta-1,3,5-triene

2,3-dichloro-5-methylocta-1,3,5-triene (PubChem CID 123372962) has the molecular formula C9H12Cl2 and a molecular weight of 191.10 g/mol. Its IUPAC name is 2,3-dichloro-5-methylocta-1,3,5-triene.

Molecular Properties

Compound Name2,3-dichloro-5-methylocta-1,3,5-triene
PubChem CID123372962
Molecular FormulaC9H12Cl2
Molecular Weight191.10 g/mol
Exact Mass190.03
IUPAC Name2,3-dichloro-5-methylocta-1,3,5-triene
SMILESC=C(Cl)C(Cl)=CC(C)=CCC
InChIInChI=1S/C9H12Cl2/c1-4-5-7(2)6-9(11)8(3)10/h5-6H,3-4H2,1-2H3
InChIKeySOAMPWLTIRJXBU-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
3,5-dimethylocta-3,5-diene
CID 54471932
ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
CID 172595101
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene
CID 143348498
(3E,5E)-3,5-dimethylocta-3,5-dien-1-yne
CID 24970719
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
(3Z,5Z)-N,5-dimethylocta-1,3,5-trien-2-amine
CID 166102143
2,4-dimethylhepta-2,4-dienamide
CID 90684610
(3Z,5Z)-3,5-dimethylocta-3,5-dienal
CID 142133897
(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750
(2Z,4Z,6Z)-6-chloro-4-methylnona-2,4,6-triene
CID 142050901

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-methylocta-1,3,5-triene?
The IUPAC name of 2,3-dichloro-5-methylocta-1,3,5-triene (CID 123372962) is 2,3-dichloro-5-methylocta-1,3,5-triene.
What is the SMILES notation for 2,3-dichloro-5-methylocta-1,3,5-triene?
The canonical SMILES for 2,3-dichloro-5-methylocta-1,3,5-triene is C=C(Cl)C(Cl)=CC(C)=CCC.
What is the InChIKey of 2,3-dichloro-5-methylocta-1,3,5-triene?
The InChIKey is SOAMPWLTIRJXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2/c1-4-5-7(2)6-9(11)8(3)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3-dichloro-5-methylocta-1,3,5-triene?
2,3-dichloro-5-methylocta-1,3,5-triene has a molecular weight of 191.10 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-methylocta-1,3,5-triene is sourced from PubChem (CID 123372962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).